Benzeneacetic acid, a-(acetylamino)-4-fluoro-, (S)- (9CI)


Chemical Name: Benzeneacetic acid, a-(acetylamino)-4-fluoro-, (S)- (9CI)
CAS Number: 136815-01-5
Product Number: AG009B9P(AGN-PC-0PL2U7)
Synonyms:
MDL No:
Molecular Formula: C10H10FNO3
Molecular Weight: 211.1897

Identification/Properties


Computed Properties
Molecular Weight:
211.192g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
211.064g/mol
Monoisotopic Mass:
211.064g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(S)-2-Acetamido-2-(4-fluorophenyl)acetic acid, also known as $name$, is a versatile chemical compound widely employed in chemical synthesis processes. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique structural properties and reactivity.In chemical synthesis, (S)-2-Acetamido-2-(4-fluorophenyl)acetic acid acts as a key intermediate in the production of optically active compounds. Its chiral nature allows for the creation of enantiomerically pure molecules, which are essential in pharmaceutical research and drug development. This compound can be utilized in the asymmetric synthesis of a wide range of complex molecules, enabling chemists to selectively produce specific enantiomers with high precision.Moreover, (S)-2-Acetamido-2-(4-fluorophenyl)acetic acid plays a crucial role in the synthesis of non-peptide mimetics, which are important in the design of novel pharmaceuticals with enhanced bioavailability and therapeutic properties. This compound's unique structure and functional groups make it a valuable tool for introducing diversity into molecular frameworks, leading to the discovery of potent drug candidates and bioactive compounds.In summary, the application of (S)-2-Acetamido-2-(4-fluorophenyl)acetic acid in chemical synthesis offers a wide range of possibilities for the creation of complex molecules with high enantiomeric purity and biological activity. Its versatility and utility make it an indispensable component in the toolbox of synthetic chemists striving to develop innovative and effective chemical solutions.